#!/usr/bin/env python
#    dft_camb3lyp
#    --------------
#    Molecule:         hydrogen atom
#    Wave Function:    DFT CAM-B3LYP / aug-cc-pVTZ
#    Test Purpose:     DFT open-shell energy and dipole moment in field

import os
import sys

sys.path.append(os.path.join(os.path.dirname(__file__), '..'))
from runtest_dalton import Filter, TestRun

test = TestRun(__file__, sys.argv)

f = Filter()
f.add(string = 'Final DFT energy',
      rel_tolerance = 1.0e-8)

f.add(from_string = 'Dipole moment',
      abs_tolerance = 1.0e-6,
      num_lines = 5,
      mask = [1])

test.run(['dft_camb3lyp.dal'], ['H_aug-cc-pVTZ.mol'], f={'out': f})

sys.exit(test.return_code)
